1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole

C19H17F2N3O2 — CID 71536259

IUPAC1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole
SMILESCc1cccc(OCCO/C(=C/n2cncn2)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H17F2N3O2/c1-14-3-2-4-16(9-14)25-7-8-26-19(11-24-13-22-12-23-24)17-6-5-15(20)10-18(17)21/h2-6,9-13H,7-8H2,1H3/b19-11+
InChIKeyRSLCMIKVHUSOQP-YBFXNURJSA-N
MW357.36 g/mol
LogP3.92
Rot. Bonds7

About 1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole

1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole (PubChem CID 71536259) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole
PubChem CID71536259
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole
SMILESCc1cccc(OCCO/C(=C/n2cncn2)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H17F2N3O2/c1-14-3-2-4-16(9-14)25-7-8-26-19(11-24-13-22-12-23-24)17-6-5-15(20)10-18(17)21/h2-6,9-13H,7-8H2,1H3/b19-11+
InChIKeyRSLCMIKVHUSOQP-YBFXNURJSA-N
XLogP3.92
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole
CID 70539608
1-[(Z)-1-[4-(3-chlorophenoxy)butoxy]-1-(2,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-triazole;nitric acid
CID 70692477
2-fluoro-4-[2-(3-methylphenoxy)ethylamino]benzenecarbothioamide
CID 115368176
2-(3-methylphenoxy)ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55394636
1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene
CID 112769762
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate
CID 70566524
2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662514
2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649032
2-(3-methylphenoxy)ethyl butanoate
CID 13247559
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole?
The IUPAC name of 1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole (CID 71536259) is 1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole?
The canonical SMILES for 1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole is Cc1cccc(OCCO/C(=C/n2cncn2)c2ccc(F)cc2F)c1.
What is the InChIKey of 1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole?
The InChIKey is RSLCMIKVHUSOQP-YBFXNURJSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-14-3-2-4-16(9-14)25-7-8-26-19(11-24-13-22-12-23-24)17-6-5-15(20)10-18(17)21/h2-6,9-13H,7-8H2,1H3/b19-11+.
What are the key properties of 1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole?
1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole has a molecular weight of 357.36 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole is sourced from PubChem (CID 71536259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).